sodium naphthalene-2-sulfonate

• ChemBase ID: 87223
• Molecular Formular: C10H7NaO3S
• Molecular Mass: 230.21555
• Monoisotopic Mass: 230.00135937
• SMILES: S(=O)(=O)(c1ccc2c(c1)cccc2)[O-].[Na+]
• Canonical SMILES: [O-]S(=O)(=O)c1ccc2c(c1)cccc2.[Na+]
• InChI: InChI=1S/C10H8O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);/q;+1/p-1
• InChIKey: YWPOLRBWRRKLMW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium naphthalene-2-sulfonate
• IUPAC Traditional name: sodium 2-naphthalenesulfonate
• Synonyms: Sodium 2-naphthalenesulfonate; Naphthalene-2-sulphonic acid, sodium salt; Sodium naphthalene-2-sulphonate 95%; Sodium naphthalene-2-sulfonate; Sodium naphthalene-2-sulfonate; Naphthalene-2-sulfonic acid sodium salt; 2-Naphthalenesulfonic acid sodium salt; 2-萘磺酸 钠盐; 2-萘磺酸钠; 萘-2-磺酸钠盐

Database IDs

• CAS Number: 532-02-5
• EC Number: 208-523-8
• MDL Number: MFCD00064186
• Beilstein Number: 3659024
• PubChem SID: 24897798; 24886005; 162074339; 24846931; 24886006
• PubChem CID: 23661868

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.23276944
• Log P: 2.1436293
• Molar Refractivity: 52.009 cm^3
• Polarizability: 22.30749 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: -1.8054581
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.23276441

PROPERTIES

Physical Property

• Absorption Wavelength: λ: 380 nm Amax: 0.1; λ: 390 nm Amax: 0.05; λ: 400 nm Amax: 0.02; λ: 500 nm Amax: 0.02

Safety Information

• Storage Warning: Hygroscopic; Irritant/Hygroscopic/Store under Argon
• RTECS: QK3678000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥90%; ≥95% (HPLC); ≥99.0% (HPLC); 90%; 95+%; 98%, may cont. up to 10% residual inorganic salts and water
• Grade: for ion pair chromatography; technical; technical grade
• Suitability: corresponds to standard for filter test
• λ: 10 % in H2O (hot)
• Empirical Formula (Hill Notation): C10H7NaO3S

DETAILS

Sigma Aldrich - 109673

Packaging
1 kg in glass bottle
5 g in glass bottle

Sigma Aldrich - N6885

包装
25 g in poly bottle

Sigma Aldrich - 70290

Other Notes
Used for ion-pair chromatography of amines and amino acid derivatives with UV-detection1